tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxopiperidin-4-yl)pyrrolidine-1-carboxylate

C20H38N2O4Si — CID 57307713

IUPACtert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxopiperidin-4-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C1CCNC(=O)C1
InChIInChI=1S/C20H38N2O4Si/c1-19(2,3)25-18(24)22-13-15(26-27(7,8)20(4,5)6)12-16(22)14-9-10-21-17(23)11-14/h14-16H,9-13H2,1-8H3,(H,21,23)/t14?,15-,16+/m1/s1
InChIKeySDBGDQWGFUJXRF-JAIYHHTPSA-N
MW398.62 g/mol
LogP3.91
Rot. Bonds3

About tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxopiperidin-4-yl)pyrrolidine-1-carboxylate

tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxopiperidin-4-yl)pyrrolidine-1-carboxylate (PubChem CID 57307713) has the molecular formula C20H38N2O4Si and a molecular weight of 398.62 g/mol. Its IUPAC name is tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxopiperidin-4-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxopiperidin-4-yl)pyrrolidine-1-carboxylate
PubChem CID57307713
Molecular FormulaC20H38N2O4Si
Molecular Weight398.62 g/mol
Exact Mass398.26
IUPAC Nametert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxopiperidin-4-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C1CCNC(=O)C1
InChIInChI=1S/C20H38N2O4Si/c1-19(2,3)25-18(24)22-13-15(26-27(7,8)20(4,5)6)12-16(22)14-9-10-21-17(23)11-14/h14-16H,9-13H2,1-8H3,(H,21,23)/t14?,15-,16+/m1/s1
InChIKeySDBGDQWGFUJXRF-JAIYHHTPSA-N
XLogP3.91
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.62
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxopiperidin-4-yl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxopiperidin-4-yl)pyrrolidine-1-carboxylate (CID 57307713) is tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxopiperidin-4-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxopiperidin-4-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxopiperidin-4-yl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C1CCNC(=O)C1.
What is the InChIKey of tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxopiperidin-4-yl)pyrrolidine-1-carboxylate?
The InChIKey is SDBGDQWGFUJXRF-JAIYHHTPSA-N. The full InChI is InChI=1S/C20H38N2O4Si/c1-19(2,3)25-18(24)22-13-15(26-27(7,8)20(4,5)6)12-16(22)14-9-10-21-17(23)11-14/h14-16H,9-13H2,1-8H3,(H,21,23)/t14?,15-,16+/m1/s1.
What are the key properties of tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxopiperidin-4-yl)pyrrolidine-1-carboxylate?
tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxopiperidin-4-yl)pyrrolidine-1-carboxylate has a molecular weight of 398.62 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxopiperidin-4-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 57307713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).